[dimethoxy(octadecan-2-yl)silyl]methanol

C21H46O3Si — CID 140786840

IUPAC[dimethoxy(octadecan-2-yl)silyl]methanol
SMILESCCCCCCCCCCCCCCCCC(C)[Si](CO)(OC)OC
InChIInChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)25(20-22,23-3)24-4/h21-22H,5-20H2,1-4H3
InChIKeySLVXKADWXPMUMV-UHFFFAOYSA-N
MW374.68 g/mol
LogP6.51
Rot. Bonds19

About [dimethoxy(octadecan-2-yl)silyl]methanol

[dimethoxy(octadecan-2-yl)silyl]methanol (PubChem CID 140786840) has the molecular formula C21H46O3Si and a molecular weight of 374.68 g/mol. Its IUPAC name is [dimethoxy(octadecan-2-yl)silyl]methanol.

Molecular Properties

Compound Name[dimethoxy(octadecan-2-yl)silyl]methanol
PubChem CID140786840
Molecular FormulaC21H46O3Si
Molecular Weight374.68 g/mol
Exact Mass374.32
IUPAC Name[dimethoxy(octadecan-2-yl)silyl]methanol
SMILESCCCCCCCCCCCCCCCCC(C)[Si](CO)(OC)OC
InChIInChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)25(20-22,23-3)24-4/h21-22H,5-20H2,1-4H3
InChIKeySLVXKADWXPMUMV-UHFFFAOYSA-N
XLogP6.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dodecan-2-yl(trimethyl)silane
CID 11425039
trifluoro(octadecan-2-yl)silane
CID 58559863
2-pentyldodecan-1-ol
CID 23125768
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyltridecan-1-ol
CID 19896300
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-nonylundecan-1-ol
CID 14397092
2-pentadecylpropane-1,3-diol
CID 91351654
chloro-dimethyl-nonan-2-ylsilane
CID 101114089
3-[dimethoxy(pentyl)silyl]butan-2-yl-dimethoxy-pentylsilane
CID 141219255
trimethoxy(4-methylicosyl)silane
CID 88743380

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(octadecan-2-yl)silyl]methanol?
The IUPAC name of [dimethoxy(octadecan-2-yl)silyl]methanol (CID 140786840) is [dimethoxy(octadecan-2-yl)silyl]methanol.
What is the SMILES notation for [dimethoxy(octadecan-2-yl)silyl]methanol?
The canonical SMILES for [dimethoxy(octadecan-2-yl)silyl]methanol is CCCCCCCCCCCCCCCCC(C)[Si](CO)(OC)OC.
What is the InChIKey of [dimethoxy(octadecan-2-yl)silyl]methanol?
The InChIKey is SLVXKADWXPMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)25(20-22,23-3)24-4/h21-22H,5-20H2,1-4H3.
What are the key properties of [dimethoxy(octadecan-2-yl)silyl]methanol?
[dimethoxy(octadecan-2-yl)silyl]methanol has a molecular weight of 374.68 g/mol, XLogP of 6.51, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(octadecan-2-yl)silyl]methanol is sourced from PubChem (CID 140786840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).